SCHEMBL20440644

SCHEMBL20440644

CNC(=O)[C@@H](NC(=O)C(C)(C)C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 11/20 0.37
MMP9 P14780 9/20 0.36
MMP14 P50281 3/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
MMP3 P08254 9/20 0.35
MMP2 P08253 7/20 0.35
MMP8 P22894 4/20 0.35
MMP13 P45452 3/20 0.35
ADAM17 P78536 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MMP7 P09237 2/20 0.34
TNF P01375 2/20 0.34
MMP20 O60882 1/20 0.34
ADAMTS4 O75173 1/20 0.34
MMP10 P09238 1/20 0.34
MMP12 P39900 1/20 0.34
MMP15 P51511 1/20 0.34
MMP16 P51512 1/20 0.34
MMP25 Q9NPA2 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19647156 0.84 PRCP (0.39) MMP1MMP9MMP14CTSSCTSK
SCHEMBL22388966 0.82 MMP1 (0.35) MMP1MMP9MMP14CTSSCTSK
SCHEMBL31135777 0.82 MMP1 (0.35) MMP1MMP9MMP14CTSSCTSK
SCHEMBL13611899 0.82 POLB (0.39) MMP1CTSSCTSK
SCHEMBL16197746 0.81 CTSS (0.36) MMP1MMP9MMP14CTSSCTSK
SCHEMBL24263338 0.78 L3MBTL1 (0.37) CTSSCTSKL3MBTL1GAA
SCHEMBL21638028 0.78 L3MBTL1 (0.37) MMP1MMP9MMP14MMP3MMP2
SCHEMBL12965977 0.78 NPSR1 (0.34) CTSSCTSKL3MBTL1GAA
SCHEMBL22600649 0.78 L3MBTL1 (0.37) CTSSCTSKL3MBTL1GAA
SCHEMBL9805189 0.78 ALDH1A1 (0.43) GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018139876-A1 NOVEL [1,2,4]TRIAZOLO[4, 3-A]QUINOXALINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING BET PROTEIN-RELATED DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT 동화약품주식회사 2018-08-02 WO disclosed